3-Bromophenacyl bromide

C₈H₆Br₂OCAS 18523-22-3277.94 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₆Br₂O
Molar mass: 277.94 g/mol
Exact mass: 275.8785 Da
logP: 3.03Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

18523-22-3

SMILES

C1=CC(=CC(=C1)Br)C(=O)CBr

InChIKey

MZBXSQBQPJWECM-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Br2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Bromo-1-(3-bromophenyl)ethan-1-one

Work with 3-Bromophenacyl bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(3-Bromophenyl)-1-propanone19829-31-366 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-266 % similar 3-Fluorophenacyl bromide53631-18-866 % similar 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-464 % similar Phenacyl bromide70-11-162 % similar 3-Bromobenzoylacetonitrile70591-86-560 % similar 2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-358 % similar 2-Bromo-3′-methoxyacetophenone5000-65-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(3,5-Dibromophenyl)ethanone14401-73-1 4-Bromophenacyl bromide99-73-0

Elsewhere

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